4909-0096 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole

4909-0096 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
4909-0096 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0096
5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4909-0096

Molecular Formula

C17H17ClN2O3S (C17 H17 ClN2 O3 S)

Compound Name

5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole

IUPAC name

5-(2-chlorophenyl)-1-methanesulfonyl-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazole

SMILES

COc(cc1)ccc1C(CC1c(cccc2)c2Cl)=NN1S(C)(=O)=O

InChI

InChI=1S/C17H17ClN2O3S/c1-23-13-9-7-12(8-10-13)16-11-17(20(19-16)24(2,21)22)14-5-3-4-6-15(14)18/h3-10,17H,11H2,1-2H3/t17-/m0/s1

InChI Key

YUYHSKWPUZOFMO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03131336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.30

Polar Surface Area

49.659

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

4909-0096 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4909-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0096?
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What is the minimum amount of 4909-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0096
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4909-0096 available by request